7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinoline-6-carboxylic acid

C15H21NO3 — CID 133202977

IUPAC7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinoline-6-carboxylic acid
SMILESCOc1cc2c(cc1C(=O)O)C(C)CC(C)(C)N2C
InChIInChI=1S/C15H21NO3/c1-9-8-15(2,3)16(4)12-7-13(19-5)11(14(17)18)6-10(9)12/h6-7,9H,8H2,1-5H3,(H,17,18)
InChIKeyMBKQXGJDOWUSQA-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.12
Rot. Bonds2

About 7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinoline-6-carboxylic acid

7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinoline-6-carboxylic acid (PubChem CID 133202977) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinoline-6-carboxylic acid.

Molecular Properties

Compound Name7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinoline-6-carboxylic acid
PubChem CID133202977
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinoline-6-carboxylic acid
SMILESCOc1cc2c(cc1C(=O)O)C(C)CC(C)(C)N2C
InChIInChI=1S/C15H21NO3/c1-9-8-15(2,3)16(4)12-7-13(19-5)11(14(17)18)6-10(9)12/h6-7,9H,8H2,1-5H3,(H,17,18)
InChIKeyMBKQXGJDOWUSQA-UHFFFAOYSA-N
XLogP3.12
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)-N-methylmethanamine
CID 133203028
1,2,2,4-tetramethyl-3,4-dihydroquinoline-6-carboxylic acid
CID 66490899
N-[4-[(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]phenyl]acetamide
CID 50860072
(E)-2-cyano-N-(3,5-dimethylphenyl)-3-(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)prop-2-enamide
CID 50859726
N-(3-fluorophenyl)-1-(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanimine
CID 50859775
(5Z)-5-[(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 50859755
methyl 2-[(5Z)-5-[(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate
CID 50860034
3,4-dichloro-N-[(Z)-(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]benzamide
CID 50859836
1-(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)-N-(4-phenoxyphenyl)methanimine
CID 50859939
(Z)-2-(3-bromophenyl)-3-(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)prop-2-enenitrile
CID 50859770
(4-methylpiperazin-1-yl)-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methanethione
CID 91973776
(E)-N-(3-bromophenyl)-2-cyano-3-(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)prop-2-enamide
CID 50859742

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinoline-6-carboxylic acid?
The IUPAC name of 7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinoline-6-carboxylic acid (CID 133202977) is 7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinoline-6-carboxylic acid.
What is the SMILES notation for 7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinoline-6-carboxylic acid?
The canonical SMILES for 7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinoline-6-carboxylic acid is COc1cc2c(cc1C(=O)O)C(C)CC(C)(C)N2C.
What is the InChIKey of 7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinoline-6-carboxylic acid?
The InChIKey is MBKQXGJDOWUSQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-9-8-15(2,3)16(4)12-7-13(19-5)11(14(17)18)6-10(9)12/h6-7,9H,8H2,1-5H3,(H,17,18).
What are the key properties of 7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinoline-6-carboxylic acid?
7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinoline-6-carboxylic acid has a molecular weight of 263.34 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinoline-6-carboxylic acid is sourced from PubChem (CID 133202977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).